UCSF

ZINC20280778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 4.93 -50.54 1 10 -1 128 470.502 8
Mid Mid (pH 6-8) 1.25 7.2 -60.9 2 10 0 129 471.51 8
Lo Low (pH 4.5-6) 1.25 4.17 -14.65 2 10 0 125 471.51 8
Lo Low (pH 4.5-6) 1.25 6.44 -50.98 3 10 1 127 472.518 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )